(2R)-2-(ethylamino)propanoic acid;hydrochloride

C5H12ClNO2 — CID 87428202

IUPAC(2R)-2-(ethylamino)propanoic acid;hydrochloride
SMILESCCN[C@H](C)C(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-6-4(2)5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyAYJORTVGNUTUMD-PGMHMLKASA-N
MW153.61 g/mol
LogP0.49
Rot. Bonds3

About (2R)-2-(ethylamino)propanoic acid;hydrochloride

(2R)-2-(ethylamino)propanoic acid;hydrochloride (PubChem CID 87428202) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (2R)-2-(ethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(ethylamino)propanoic acid;hydrochloride
PubChem CID87428202
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(2R)-2-(ethylamino)propanoic acid;hydrochloride
SMILESCCN[C@H](C)C(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-6-4(2)5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyAYJORTVGNUTUMD-PGMHMLKASA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carboxymethylamino)propanoic acid
CID 2764308
(2R)-2-(sulfanylmethylamino)propanoic acid
CID 54134346
ethane;3-(ethylamino)butan-2-one
CID 145148121
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
2-(pentylamino)propanoic acid
CID 43467235
2-(hexadecylamino)propanoic acid
CID 15919803
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-(methoxymethylamino)propanoic acid
CID 22892072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylamino)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-(ethylamino)propanoic acid;hydrochloride (CID 87428202) is (2R)-2-(ethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(ethylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-(ethylamino)propanoic acid;hydrochloride is CCN[C@H](C)C(=O)O.Cl.
What is the InChIKey of (2R)-2-(ethylamino)propanoic acid;hydrochloride?
The InChIKey is AYJORTVGNUTUMD-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-6-4(2)5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m1./s1.
What are the key properties of (2R)-2-(ethylamino)propanoic acid;hydrochloride?
(2R)-2-(ethylamino)propanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 87428202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).